5TEW

Crystal structure of a tryptophanyl-tRNA synthetase from Neisseria gonorrhoeae bound to tryptophan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 32 2 1
Unit cell lengths	59.940, 59.940, 162.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.777 - 2.500
R-factor	0.1901
Rwork	0.181
R-free	0.26340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tzl
RMSD bond length	0.006
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((dev_2499: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.051	0.017	0.534
Number of reflections	12305
<I/σ(I)>	28.73	76.31	3.69
Completeness [%]	99.5	95.6	100
Redundancy	7.2
CC(1/2)	1.000	1.000	0.889

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	NegoA.00743.a.B1.PS37949 at 19.2 mg/mL with 2 mM MgCl2, 2 mM tryptophan against morpheus screen condition C5 10% PEG 20000, 20% PEG 550 MME, 0.1 M MOPS/Hepes pH 7.5, 0.03M sodium nitrate, disodium hydrogen phosphate, ammonium sulfate